SCHEMBL9950176

SCHEMBL9950176

COCCNc1cncc(-c2cc(C(N)=O)ncc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CCNT1 O60563 8/20 0.42
CCNK O75909 4/20 0.40
CDK9 P50750 4/20 0.40
BRAF P15056 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
FGFR4 P22455 1/20 0.39
HCAR3 P49019 1/20 0.39
IKBKB O14920 1/20 0.37
KDR P35968 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9950504 0.85 CCNT1 (0.48) PIM1PIM2CCNT1BRAF
SCHEMBL9950178 0.83 CCNT1 (0.44) PIM1PIM2CCNT1CCNKCDK9
SCHEMBL9950120 0.81 KDM4E (0.41) CCNT1BRAF
SCHEMBL9949639 0.81 KDM4E (0.41) CCNT1BRAF
SCHEMBL10179191 0.79 CCNT1 (0.48) CCNT1CDK9
SCHEMBL9949605 0.79 CCNT1 (0.57) PIM1PIM2CCNT1CCNKCDK9
SCHEMBL9950884 0.77 CCNT1 (0.40) CCNT1CDK9IRAK4
SCHEMBL9950495 0.77 CCNT1 (0.49) CCNT1BRAF
SCHEMBL9949992 0.77 CCNT1 (0.50) CCNT1BRAF
SCHEMBL9950800 0.76 SIRT6 (0.44) PIM1PIM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI PIM1 491/4885PIM2 658/4885CCNT1 39/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.